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Template Talk:Chembox/Archive 9
CAS: 108-01-0 | C4H11NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
108-01-0
Molecular Formula:
C4H11NO
Molecular Weight:
89.13799999999999 g/mol
Names and Synonyms:
Template Talk:Chembox/Archive 9
Dimethyl MEA
MA 95
DeuAdd MA 95
N,N-Dimethyl-2-ethanolamine
T 80
Tegoamin DMEA
Lupragen N 101
Niax DMEA
Texacat DMEA
Jeffcat DMEA
Aminoalcohol 2mabs
NSC 2652
Dabco DMEA
PC CAT DMEA
N-(2-Hydroxyethyl)-N,N-dimethylamine
DMEA
Thancat DME
2-(Dimethylamino)ethyl alcohol
Rexolin
Dimethylethanolamine
Texacat DME
Dimethol
N,N-Dimethyl-β-hydroxyethylamine
Amietol M 21
Kalpur P
Dimethyl(hydroxyethyl)amine
N,N-Dimethyl-N-(β-hydroxyethyl)amine
Norcholine
N,N-Dimethyl(2-hydroxyethyl)amine
Dimethylmonoethanolamine
N,N-Dimethyl-2-aminoethanol
(2-Hydroxyethyl)dimethylamine
2-(N,N-Dimethylamino)ethanol
N-(2-Hydroxyethyl)dimethylamine
Propamine A
Dimethyl(2-hydroxyethyl)amine
(Dimethylamino)ethanol
β-(Dimethylamino)ethanol
Bimanol
β-Hydroxyethyldimethylamine
DMAE
N,N-Dimethylethanolamine
β-Dimethylaminoethyl alcohol
(N,N-Dimethylamino)ethanol
Deanol
2-(Dimethylamino)ethanol
Ethanol, 2-(dimethylamino)-
Identifiers:
SMILES:
CN(C)CCO
InChI:
InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 89.13799999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 89.084063972 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 23.47 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.45970000000000016 | RDKit |
| molecular_mass | 89.14 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Template_talk:Chembox/Archive_9 None | Legacy Database |
| cas-boiling-point | 135 °C @ Press: 758 Torr None | Legacy Database |
| cas-canonical-smile | OCCN(C)C None | Legacy Database |
| cas-density | 0.8866 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=UEEJHVSXFDXPFK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -59 °C None | Legacy Database |
| cas-name | 2-(Dimethylamino)ethanol None | Legacy Database |
| wikipedia-name | Template talk:Chembox/Archive 9 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.63979999999999 | RDKit |
